7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine

C19H26N2S — CID 67251343

IUPAC7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine
SMILESCCCN(CCc1ccsc1)C1CCc2cccc(N)c2C1
InChIInChI=1S/C19H26N2S/c1-2-10-21(11-8-15-9-12-22-14-15)17-7-6-16-4-3-5-19(20)18(16)13-17/h3-5,9,12,14,17H,2,6-8,10-11,13,20H2,1H3
InChIKeyDZOXZSHAHFTTQX-UHFFFAOYSA-N
MW314.50 g/mol
LogP4.14
Rot. Bonds6

About 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine

7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine (PubChem CID 67251343) has the molecular formula C19H26N2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine.

Molecular Properties

Compound Name7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine
PubChem CID67251343
Molecular FormulaC19H26N2S
Molecular Weight314.50 g/mol
Exact Mass314.18
IUPAC Name7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine
SMILESCCCN(CCc1ccsc1)C1CCc2cccc(N)c2C1
InChIInChI=1S/C19H26N2S/c1-2-10-21(11-8-15-9-12-22-14-15)17-7-6-16-4-3-5-19(20)18(16)13-17/h3-5,9,12,14,17H,2,6-8,10-11,13,20H2,1H3
InChIKeyDZOXZSHAHFTTQX-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 18650733
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
6-N-ethyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836516
6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 19773355
(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15115510
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
6-[2-(4-hydroxyphenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 14580578
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
N,N-dipropyl-8-(1,3,5-triazin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23373523
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
CID 74044271

Frequently Asked Questions

What is the IUPAC name of 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine?
The IUPAC name of 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine (CID 67251343) is 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine.
What is the SMILES notation for 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine?
The canonical SMILES for 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine is CCCN(CCc1ccsc1)C1CCc2cccc(N)c2C1.
What is the InChIKey of 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine?
The InChIKey is DZOXZSHAHFTTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S/c1-2-10-21(11-8-15-9-12-22-14-15)17-7-6-16-4-3-5-19(20)18(16)13-17/h3-5,9,12,14,17H,2,6-8,10-11,13,20H2,1H3.
What are the key properties of 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine?
7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine has a molecular weight of 314.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-propyl-7-N-(2-thiophen-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-1,7-diamine is sourced from PubChem (CID 67251343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).